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PUBCHEM-ZINC05978465

 MMsINC code: MMs03473848
Type: Neutral
Formula: C12H23NO3
SMILES:   O(C(=O)CNC(=O)C(CCCC)CC)CC
InChI:   InChI=1/C12H23NO3/c1-4-7-8-10(5-2)12(15)13-9-11(14)16-6-3/h10H,4-9H2,1-3H3,(H,13,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=26.8092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.32 g/mol  logS: -2.97027  SlogP: 1.8821  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0467714  Sterimol/B1: 2.31112  Sterimol/B2: 2.74927  Sterimol/B3: 3.78855
  Sterimol/B4: 5.93324  Sterimol/L: 18.0816 
 
 Surface and Volume Properties
  Accessible surface: 520.415  Positive charged surface: 384.771  Negative charged surface: 135.644  Volume: 245.625
  Hydrophobic surface: 369.283  Hydrophilic surface: 151.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.